phenyl dichloro(sulfanylidene)phosphinite

• ChemBase ID: 180531
• Molecular Formular: C6H5Cl2OPS
• Molecular Mass: 227.048061
• Monoisotopic Mass: 225.91757777
• SMILES: P(=S)(Oc1ccccc1)(Cl)Cl
• Canonical SMILES: ClP(=S)(Oc1ccccc1)Cl
• InChI: InChI=1S/C6H5Cl2OPS/c7-10(8,11)9-6-4-2-1-3-5-6/h1-5H
• InChIKey: ODPZLWXUWFTSEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl dichloro(sulfanylidene)phosphinite
• IUPAC Traditional name: phenyl dichloro(sulfanylidene)phosphinite
• Synonyms: O-phenyl phosphorodichloridothioate

Database IDs

• CAS Number: 18961-96-1
• PubChem SID: 164236441
• PubChem CID: 292336

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4364777
• LogD (pH = 7.4): 3.4364777
• Log P: 3.4364777
• Molar Refractivity: 54.0461 cm^3
• Polarizability: 21.438831 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true